ChemSpider 2D Image | Methyl 1-[2-(1H-indol-3-yl)ethyl]-5-[(4-methoxy-4-methyl-2-pentanyl)amino]-3-[(3-methoxypropanoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate | C30H39N5O5

Methyl 1-[2-(1H-indol-3-yl)ethyl]-5-[(4-methoxy-4-methyl-2-pentanyl)amino]-3-[(3-methoxypropanoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

  • Molecular FormulaC30H39N5O5
  • Average mass549.661 Da
  • Monoisotopic mass549.295105 Da
  • ChemSpider ID23050074

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-[2-(1H-Indol-3-yl)éthyl]-5-[(4-méthoxy-4-méthyl-2-pentanyl)amino]-3-[(3-méthoxypropanoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 1-[2-(1H-indol-3-yl)ethyl]-5-[(3-methoxy-1,3-dimethylbutyl)amino]-3-[(3-methoxy-1-oxopropyl)amino]-, methyl ester [ACD/Index Name]
Methyl 1-[2-(1H-indol-3-yl)ethyl]-5-[(4-methoxy-4-methyl-2-pentanyl)amino]-3-[(3-methoxypropanoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate [ACD/IUPAC Name]
Methyl-1-[2-(1H-indol-3-yl)ethyl]-5-[(4-methoxy-4-methyl-2-pentanyl)amino]-3-[(3-methoxypropanoyl)amino]-1H-pyrrolo[2,3-b]pyridin-2-carboxylat [German] [ACD/IUPAC Name]
methyl 1-[2-(1H-indol-3-yl)ethyl]-5-[(3-methoxy-1,3-dimethylbutyl)amino]-3-[(3-methoxypropanoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 792.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 433.3±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 152.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2116.13
ACD/KOC (pH 5.5): 7864.32
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2612.07
ACD/KOC (pH 7.4): 9707.41
Polar Surface Area: 120 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 444.5±7.0 cm3

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